Dataset

A alpha C

This MassBank record with Accession MSBNK-UFZ-UA000804 contains the MS2 mass spectrum of A alpha C with the InChIkey FJTNLJLPLJDTRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
SMILES c1ccc2c(c1)c1c([nH]2)nc(cc1)N
InChI Key FJTNLJLPLJDTRM-UHFFFAOYSA-N
Molecular Formula C11H9N3
Exact Mass 183.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA000804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:42:24.394898
MetadataModified 2025-02-09T19:48:45.916815
MetadataPublished 2014-06-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C19186 KEGG Ligand
255195 Brenda
50515493 BindingDB
CHEMBL4567642 ChEMBL
82284 ChEBI
DTXSID7020001 EPA CompTox Dashboard
CB3330557 ChemicalBook
J45.284J Nikkaji
117437 Brenda
HMDB0033141 Human Metabolome Database
ZINC000018169811 ZINC
62805 PubChem
SCHEMBL1336333 SureChEMBL
26148-68-5 ACToR
P0GZ1ICS6X FDA SRS
3714464 eMolecules
The data in this table is sourced from UniChem at EBI.